(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide;2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide;tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(2-methyl-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]carbamate

C60H82N10O10 — CID 164972018

IUPAC(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide;2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide;tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(2-methyl-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC(=O)C(C)(C)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C.CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)C(C)(C)C(C)=O.CNC(=O)C(C)(C)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O
InChIInChI=1S/C22H31N3O4.C19H26N4O3.C19H25N3O3/c1-14(26)22(5,6)25(7)19(27)18(24-20(28)29-21(2,3)4)12-15-13-23-17-11-9-8-10-16(15)17;1-12(24)22-16(17(25)23(5)19(2,3)18(26)20-4)10-13-11-21-15-9-7-6-8-14(13)15;1-12(23)19(3,4)22(5)18(25)17(21-13(2)24)10-14-11-20-16-9-7-6-8-15(14)16/h8-11,13,18,23H,12H2,1-7H3,(H,24,28);6-9,11,16,21H,10H2,1-5H3,(H,20,26)(H,22,24);6-9,11,17,20H,10H2,1-5H3,(H,21,24)/t18-;16-;17-/m111/s1
InChIKeyDGGUXPXJQMASQU-IVYKLEDASA-N
MW1103.38 g/mol
LogP6.67
Rot. Bonds18

About (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide;2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide;tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(2-methyl-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]carbamate

(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide;2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide;tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(2-methyl-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]carbamate (PubChem CID 164972018) has the molecular formula C60H82N10O10 and a molecular weight of 1103.38 g/mol. Its IUPAC name is (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide;2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide;tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(2-methyl-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide;2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide;tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(2-methyl-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]carbamate
PubChem CID164972018
Molecular FormulaC60H82N10O10
Molecular Weight1103.38 g/mol
Exact Mass1102.62
IUPAC Name(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide;2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide;tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(2-methyl-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]carbamate
SMILESCC(=O)C(C)(C)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C.CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)C(C)(C)C(C)=O.CNC(=O)C(C)(C)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O
InChIInChI=1S/C22H31N3O4.C19H26N4O3.C19H25N3O3/c1-14(26)22(5,6)25(7)19(27)18(24-20(28)29-21(2,3)4)12-15-13-23-17-11-9-8-10-16(15)17;1-12(24)22-16(17(25)23(5)19(2,3)18(26)20-4)10-13-11-21-15-9-7-6-8-14(13)15;1-12(23)19(3,4)22(5)18(25)17(21-13(2)24)10-14-11-20-16-9-7-6-8-15(14)16/h8-11,13,18,23H,12H2,1-7H3,(H,24,28);6-9,11,16,21H,10H2,1-5H3,(H,20,26)(H,22,24);6-9,11,17,20H,10H2,1-5H3,(H,21,24)/t18-;16-;17-/m111/s1
InChIKeyDGGUXPXJQMASQU-IVYKLEDASA-N
XLogP6.67
TPSA268.07 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001103.38
LogP ≤ 56.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide;2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide;tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(2-methyl-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]carbamate with MolForge

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Related Compounds

(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide
CID 164972019
(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 141497197
2-acetamido-N-(2-hydroxy-2-methylpropyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 111543245
tert-butyl N-[(2R)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 7109658
(2S)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-phenylpropanamide
CID 94102423
tert-butyl N-[(2R)-1-[[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
CID 131724766
methyl (2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 15755404
[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]azanium
CID 142070934
methyl 2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetate
CID 6999730
(2,3,4,5,6-pentachlorophenyl) (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 14991683
2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 3711766
benzyl (2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 10318477

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide;2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide;tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(2-methyl-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]carbamate?
The IUPAC name of (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide;2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide;tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(2-methyl-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]carbamate (CID 164972018) is (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide;2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide;tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(2-methyl-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide;2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide;tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(2-methyl-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]carbamate?
The canonical SMILES for (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide;2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide;tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(2-methyl-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]carbamate is CC(=O)C(C)(C)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C.CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N(C)C(C)(C)C(C)=O.CNC(=O)C(C)(C)N(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O.
What is the InChIKey of (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide;2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide;tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(2-methyl-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]carbamate?
The InChIKey is DGGUXPXJQMASQU-IVYKLEDASA-N. The full InChI is InChI=1S/C22H31N3O4.C19H26N4O3.C19H25N3O3/c1-14(26)22(5,6)25(7)19(27)18(24-20(28)29-21(2,3)4)12-15-13-23-17-11-9-8-10-16(15)17;1-12(24)22-16(17(25)23(5)19(2,3)18(26)20-4)10-13-11-21-15-9-7-6-8-14(13)15;1-12(23)19(3,4)22(5)18(25)17(21-13(2)24)10-14-11-20-16-9-7-6-8-15(14)16/h8-11,13,18,23H,12H2,1-7H3,(H,24,28);6-9,11,16,21H,10H2,1-5H3,(H,20,26)(H,22,24);6-9,11,17,20H,10H2,1-5H3,(H,21,24)/t18-;16-;17-/m111/s1.
What are the key properties of (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide;2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide;tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(2-methyl-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]carbamate?
(2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide;2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide;tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(2-methyl-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]carbamate has a molecular weight of 1103.38 g/mol, XLogP of 6.67, 18 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-(1H-indol-3-yl)-N-methyl-N-(2-methyl-3-oxobutan-2-yl)propanamide;2-[[(2R)-2-acetamido-3-(1H-indol-3-yl)propanoyl]-methylamino]-N,2-dimethylpropanamide;tert-butyl N-[(2R)-3-(1H-indol-3-yl)-1-[methyl-(2-methyl-3-oxobutan-2-yl)amino]-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 164972018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).